2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide

C18H29N5O2 — CID 171359926

IUPAC2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCc1cnn(CC2CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)c1
InChIInChI=1S/C18H29N5O2/c1-14-9-20-23(10-14)11-15-4-7-22(8-5-15)18(25)16-3-2-6-21(12-16)13-17(19)24/h9-10,15-16H,2-8,11-13H2,1H3,(H2,19,24)/t16-/m0/s1
InChIKeyBCNQXNCHUGOAHL-INIZCTEOSA-N
MW347.46 g/mol
LogP0.63
Rot. Bonds5

About 2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide

2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 171359926) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID171359926
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCc1cnn(CC2CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)c1
InChIInChI=1S/C18H29N5O2/c1-14-9-20-23(10-14)11-15-4-7-22(8-5-15)18(25)16-3-2-6-21(12-16)13-17(19)24/h9-10,15-16H,2-8,11-13H2,1H3,(H2,19,24)/t16-/m0/s1
InChIKeyBCNQXNCHUGOAHL-INIZCTEOSA-N
XLogP0.63
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817519
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 53608327
8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908370
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
2-cyclopentyl-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72892219
2-(cyclopropylmethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72913360
2-(3-hydroxypropyl)-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72921836
2-(2-hydroxypropyl)-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72936390
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 56881515
N-(1-methyl-1H-pyrazol-4-yl)-2-[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]acetamide
CID 56862892
3-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3,9-diazaspiro[5.5]undecane
CID 56863973

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide (CID 171359926) is 2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide is Cc1cnn(CC2CCN(C(=O)[C@H]3CCCN(CC(N)=O)C3)CC2)c1.
What is the InChIKey of 2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is BCNQXNCHUGOAHL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-9-20-23(10-14)11-15-4-7-22(8-5-15)18(25)16-3-2-6-21(12-16)13-17(19)24/h9-10,15-16H,2-8,11-13H2,1H3,(H2,19,24)/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 171359926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).